3-(4-chlorophenyl)-5-[(3-chlorophenyl)methylsulfanyl]-4-octyl-1,2,4-triazole

Systemtic Name: 3-(4-chlorophenyl)-5-[(3-chlorophenyl)methylsulfanyl]-4-octyl-1,2,4-triazole Openeye Name: 3-(4-chlorophenyl)-5-[(3-chlorophenyl)methylsulfanyl]-4-octyl-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-5-[(3-chlorophenyl)methylthio]-4-octyl-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-5-[(3-chlorophenyl)methylsulfanyl]-4-octyl-1,2,4-triazole Traditional Name: 3-[(3-chlorobenzyl)thio]-5-(4-chlorophenyl)-4-octyl-1,2,4-triazole Formula: C23H27Cl2N3S MolecularWeight: 448.45158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NN=C1SCC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCCCN1C(=NN=C1SCC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H27Cl2N3S/c1-2-3-4-5-6-7-15-28-22(19-11-13-20(24)14-12-19)26-27-23(28)29-17-18-9-8-10-21(25)16-18/h8-14,16H,2-7,15,17H2,1H3